SCHEMBL8307807

SCHEMBL8307807

OCCO/N=C/c1cncc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
FDPS P14324 3/20 0.35
PADI4 Q9UM07 1/20 0.35
UNG P13051 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CHRNB2 P17787 2/20 0.33
PTGS2 P35354 2/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
ATM Q13315 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8307808 1.00 TAAR1 (0.46) TAAR1HDAC1HDAC2MKNK1MKNK2
SCHEMBL8305044 0.82 UNG (0.46) TAAR1HDAC1HDAC2UNGALDH1A1
SCHEMBL8305043 0.82 UNG (0.46) TAAR1HDAC1HDAC2UNGALDH1A1
SCHEMBL8308913 0.81 HDAC2 (0.54) TAAR1HDAC1HDAC2ALDH1A1RECQL
SCHEMBL8308910 0.81 HDAC2 (0.54) TAAR1HDAC1HDAC2ALDH1A1RECQL
SCHEMBL8306343 0.77 TAAR1 (0.47) TAAR1HDAC1HDAC2UNGALDH1A1
SCHEMBL8306342 0.77 TAAR1 (0.47) TAAR1HDAC1HDAC2UNGALDH1A1
SCHEMBL8304977 0.76 TAAR1 (0.44) TAAR1HDAC1HDAC2ALDH1A1RECQL
SCHEMBL8304980 0.76 TAAR1 (0.44) TAAR1HDAC1HDAC2ALDH1A1RECQL
SCHEMBL8307827 0.76 MKNK1 (0.44) MKNK1MKNK2FDPSALDH1A1CYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972959-A Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1999-10-26 US disclosed
EP-0708098-B1 Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1999-03-03 EP disclosed
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed